UCSF

ZINC05341986

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 22 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 2.88 -16.74 3 7 0 104 315.358 3
Ref Reference (pH 7) 1.71 3.05 -17.39 3 7 0 104 315.358 3
Hi High (pH 8-9.5) 1.78 1.64 -114.57 1 7 -2 113 313.342 3
Hi High (pH 8-9.5) 1.67 1.89 -116.46 0 7 -2 109 313.342 3
Hi High (pH 8-9.5) 1.49 4.03 -52.95 1 7 -1 103 314.35 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )